Solar photo-Fenton treatment of the anti-cancer drug anastrozole in different aqueous matrices at near-neutral pH: Transformation products identification, pathways proposal, and in silico (Q)SAR risk assessment

2021 ◽  
Vol 754 ◽  
pp. 142300
Author(s):  
Pedro Sanabria ◽  
Davi Scunderlick ◽  
Marcelo L. Wilde ◽  
Diogo S. Lüdtke ◽  
Carla Sirtori
Keyword(s):  
Risk Assessment ◽  
In Silico ◽  
Transformation Products ◽  
Cancer Drug ◽  
Neutral Ph ◽  
Anti Cancer ◽  
Aqueous Matrices

Degradation of the anticancer drug flutamide by solar photo-Fenton treatment at near-neutral pH: Identification of transformation products and in silico (Q)SAR risk assessment

2020 ◽  
Vol 183 ◽  
pp. 109223 ◽  
Author(s):  
Alexandre Della-Flora ◽  
Marcelo L. Wilde ◽  
Igor D.F. Pinto ◽  
Éder C. Lima ◽  
Carla Sirtori
Keyword(s):  
Risk Assessment ◽  
Anticancer Drug ◽  
In Silico ◽  
Transformation Products ◽  
Neutral Ph

scholarly journals In-silico Prediction of Synergistic Anti-Cancer Drug Combinations Using Multi-omics Data

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Remzi Celebi ◽  
Oliver Bear Don’t Walk ◽  
Rajiv Movva ◽  
Semih Alpsoy ◽  
Michel Dumontier
Keyword(s):  
In Silico ◽  
Drug Combinations ◽  
Cancer Drug ◽  
Omics Data ◽  
In Silico Prediction ◽  
Anti Cancer

scholarly journals In Silico Identification and In Vitro and In Vivo Validation of Anti-Psychotic Drug Fluspirilene as a Potential CDK2 Inhibitor and a Candidate Anti-Cancer Drug

PLoS ONE ◽  
2015 ◽  
Vol 10 (7) ◽  
pp. e0132072 ◽  
Author(s):  
Xi-Nan Shi ◽  
Hongjian Li ◽  
Hong Yao ◽  
Xu Liu ◽  
Ling Li ◽  
...  
Keyword(s):  
In Silico ◽  
Cancer Drug ◽  
Anti Psychotic ◽  
Anti Cancer ◽  
In Silico Identification ◽  
In Vivo Validation

scholarly journals Curcumin binds in silico to anti-cancer drug target enzyme MMP-3 (human stromelysin-1) with affinity comparable to two known inhibitors of the enzyme

2015 ◽  
Vol 11 (8) ◽  
pp. 387-392 ◽  
Author(s):  
Ahmed Jerah ◽  
◽  
Yahya Hobani ◽  
Vinod Kumar ◽  
Anil Bidwai ◽  
...  
Keyword(s):  
In Silico ◽  
Drug Target ◽  
Cancer Drug ◽  
Anti Cancer ◽  
Target Enzyme

In silico inspired design and synthesis of a novel tubulin-binding anti-cancer drug: folate conjugated noscapine (Targetin)

2011 ◽  
Vol 26 (2) ◽  
pp. 233-247 ◽  
Author(s):  
Pradeep K. Naik ◽  
Manu Lopus ◽  
Ritu Aneja ◽  
Surya N. Vangapandu ◽  
Harish C. Joshi
Keyword(s):  
In Silico ◽  
Cancer Drug ◽  
Design And Synthesis ◽  
Anti Cancer ◽  
Tubulin Binding

scholarly journals Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2′-deoxyuridine-5′-monophosphate on ABCC11 in silico models

2013 ◽  
Vol 13 (1) ◽  
pp. 7 ◽  
Author(s):  
Mylène Honorat ◽  
Raphaël Terreux ◽  
Pierre Falson ◽  
Attilio Di Pietro ◽  
Charles Dumontet ◽  
...  
Keyword(s):  
Binding Sites ◽  
In Silico ◽  
Cyclic Guanosine Monophosphate ◽  
Guanosine Monophosphate ◽  
Cancer Drug ◽  
Anti Cancer ◽  
In Silico Models

Computational Studies in Drug Design Against Cancer

2019 ◽  
Vol 19 (5) ◽  
pp. 587-591 ◽  
Author(s):  
Baishakhi De ◽  
Koushik Bhandari ◽  
Francisco J.B. Mendonça ◽  
Marcus T. Scotti ◽  
Luciana Scotti
Keyword(s):  
Drug Design ◽  
Protein Interactions ◽  
In Silico ◽  
High Throughput Screening ◽  
Pharmacophore Modeling ◽  
Cancer Drug ◽  
Cancer Drugs ◽  
Considerable Saving ◽  
Anti Cancer ◽  
In Silico Tools

Background: The application of in silico tools in the development of anti cancer drugs. Objective: The summing of different computer aided drug design approaches that have been applied in the development of anti cancer drugs. Methods: Structure based, ligand based, hybrid protein-ligand pharmacophore methods, Homology modeling, molecular docking aids in different steps of drug discovery pipeline with considerable saving in time and expenditure. In silico tools also find applications in the domain of cancer drug development. Results: Structure-based pharmacophore modeling aided in the identification of PUMA inhibitors, structure based approach with high throughput screening for the development of Bcl-2 inhibitors, to derive the most relevant protein-protein interactions, anti mitotic agents; I-Kappa-B Kinase β (IKK- β) inhibitor, screening of new class of aromatase inhibitors that can be important targets in cancer therapy. Conclusion: Application of computational methods in the design of anti cancer drugs was found to be effective.

Ellagic acid as a potent anti‐cancer drug: A comprehensive review on in vitro, in vivo, in silico and drug delivery studies

2021 ◽  
Author(s):  
Arash Mohammadinejad ◽  
Taraneh Mohajeri ◽  
Ghazaleh Aleyaghoob ◽  
Fatemeh Heidarian ◽  
Reza Kazemi Oskuee
Keyword(s):  
Drug Delivery ◽  
Ellagic Acid ◽  
In Silico ◽  
Cancer Drug ◽  
Comprehensive Review ◽  
Anti Cancer
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